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CHEBI:168487 - (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one

ChEBI IDCHEBI:168487
ChEBI Name(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESCC(=O)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O
InChIInChI=1S/C13H22O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,10,15-17H,7-8H2,1-4H3/b6-5+
InChIKeyQASOACWKTAXFSE-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one (CHEBI:168487) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one
Manual XrefsDatabases
31014626ChemSpider
HMDB0038736HMDB